2-[4-(4,8-dimethyl-2-oxoquinolin-1-yl)butyl]isoindole-1,3-dione

C23H22N2O3 — CID 39768160

IUPAC2-[4-(4,8-dimethyl-2-oxoquinolin-1-yl)butyl]isoindole-1,3-dione
SMILESCc1cc(=O)n(CCCCN2C(=O)c3ccccc3C2=O)c2c(C)cccc12
InChIInChI=1S/C23H22N2O3/c1-15-8-7-11-17-16(2)14-20(26)24(21(15)17)12-5-6-13-25-22(27)18-9-3-4-10-19(18)23(25)28/h3-4,7-11,14H,5-6,12-13H2,1-2H3
InChIKeyHTJNGHCTRWETKQ-UHFFFAOYSA-N
MW374.44 g/mol
LogP3.69
Rot. Bonds5

About 2-[4-(4,8-dimethyl-2-oxoquinolin-1-yl)butyl]isoindole-1,3-dione

2-[4-(4,8-dimethyl-2-oxoquinolin-1-yl)butyl]isoindole-1,3-dione (PubChem CID 39768160) has the molecular formula C23H22N2O3 and a molecular weight of 374.44 g/mol. Its IUPAC name is 2-[4-(4,8-dimethyl-2-oxoquinolin-1-yl)butyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[4-(4,8-dimethyl-2-oxoquinolin-1-yl)butyl]isoindole-1,3-dione
PubChem CID39768160
Molecular FormulaC23H22N2O3
Molecular Weight374.44 g/mol
Exact Mass374.16
IUPAC Name2-[4-(4,8-dimethyl-2-oxoquinolin-1-yl)butyl]isoindole-1,3-dione
SMILESCc1cc(=O)n(CCCCN2C(=O)c3ccccc3C2=O)c2c(C)cccc12
InChIInChI=1S/C23H22N2O3/c1-15-8-7-11-17-16(2)14-20(26)24(21(15)17)12-5-6-13-25-22(27)18-9-3-4-10-19(18)23(25)28/h3-4,7-11,14H,5-6,12-13H2,1-2H3
InChIKeyHTJNGHCTRWETKQ-UHFFFAOYSA-N
XLogP3.69
TPSA59.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-[3-(4,6,8-trimethyl-2-oxoquinolin-1-yl)propyl]isoindole-1,3-dione
CID 39768357
4,8-dimethyl-1-[4-(4-methylphenoxy)butyl]quinolin-2-one
CID 39768203
2-[4-(1,3-dioxoisoindol-2-yl)(1,4-13C2)butyl]isoindole-1,3-dione
CID 10784038
2-[3-[(5,9-dimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]propyl]isoindole-1,3-dione
CID 22694003
3-(4,8-dimethyl-2-oxoquinolin-1-yl)-N-(2,4-dimethylphenyl)propanamide
CID 39764526
2-[6-[4-(2,6-dimethylphenyl)-3,5-dimethylphenoxy]hexyl]isoindole-1,3-dione
CID 21281146
tetrakis[4-(1,3-dioxoisoindol-2-yl)butyl]azanium
CID 10056713
4,6,8-trimethyl-1-(4-phenoxybutyl)quinolin-2-one
CID 39768400
2-[(4,8-dimethyl-2-oxoquinolin-1-yl)methyl]benzonitrile
CID 39768209
propyl 2-(4,8-dimethyl-2-oxoquinolin-1-yl)acetate
CID 39768222
2-[3-(4-methyl-2-methylsulfanyl-6-oxopyrimidin-1-yl)propyl]isoindole-1,3-dione
CID 7748200
2-[6-[6-(1,3-dioxoisoindol-2-yl)hexyldisulfanyl]hexyl]isoindole-1,3-dione
CID 15499684

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4,8-dimethyl-2-oxoquinolin-1-yl)butyl]isoindole-1,3-dione?
The IUPAC name of 2-[4-(4,8-dimethyl-2-oxoquinolin-1-yl)butyl]isoindole-1,3-dione (CID 39768160) is 2-[4-(4,8-dimethyl-2-oxoquinolin-1-yl)butyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[4-(4,8-dimethyl-2-oxoquinolin-1-yl)butyl]isoindole-1,3-dione?
The canonical SMILES for 2-[4-(4,8-dimethyl-2-oxoquinolin-1-yl)butyl]isoindole-1,3-dione is Cc1cc(=O)n(CCCCN2C(=O)c3ccccc3C2=O)c2c(C)cccc12.
What is the InChIKey of 2-[4-(4,8-dimethyl-2-oxoquinolin-1-yl)butyl]isoindole-1,3-dione?
The InChIKey is HTJNGHCTRWETKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O3/c1-15-8-7-11-17-16(2)14-20(26)24(21(15)17)12-5-6-13-25-22(27)18-9-3-4-10-19(18)23(25)28/h3-4,7-11,14H,5-6,12-13H2,1-2H3.
What are the key properties of 2-[4-(4,8-dimethyl-2-oxoquinolin-1-yl)butyl]isoindole-1,3-dione?
2-[4-(4,8-dimethyl-2-oxoquinolin-1-yl)butyl]isoindole-1,3-dione has a molecular weight of 374.44 g/mol, XLogP of 3.69, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4,8-dimethyl-2-oxoquinolin-1-yl)butyl]isoindole-1,3-dione is sourced from PubChem (CID 39768160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).